6DMF

Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A with cellohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	228.845, 228.845, 246.517
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.600 - 2.400
R-factor	0.1922
Rwork	0.190
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dk2
RMSD bond length	0.005
RMSD bond angle	0.996
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	2.487
High resolution limit [Å]	2.400	2.400
Rmerge	0.225	1.755
Rmeas	0.240
Number of reflections	283596	28197
<I/σ(I)>	8.4	1.11
Completeness [%]	99.9	99.52
Redundancy	8.5	7.3
CC(1/2)	0.996	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Molecular Dimensions Crystal Strategy Screen I, well G3 (0.2 M magnesium chloride, 0.1 M Tris acetate, pH 8.5, 25% PEG2000 MME).